Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 4-pentadecyl ester

InChI

InChI=1S/C24H34F6O2/c1-3-5-6-7-8-9-10-11-12-14-19(13-4-2)32-22(31)20-17-18(23(25,26)27)15-16-21(20)24(28,29)30/h15-17,19H,3-14H2,1-2H3

InChI Key

BWSMRBVZAONJKI-UHFFFAOYSA-N

Formula

C24H34F6O2

SMILES

CCCCCCCCCCCC(CCC)OC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

468.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1155.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1769.34	kJ/mol	Joback Calculated Property
ΔfusH°	54.09	kJ/mol	Joback Calculated Property
ΔvapH°	73.89	kJ/mol	Joback Calculated Property
log10WS	-9.89		Crippen Calculated Property
logPoct/wat	8.971		Crippen Calculated Property
McVol	343.320	ml/mol	McGowan Calculated Property
Pc	865.56	kPa	Joback Calculated Property
Inp	[2188.00; 2188.00]
Inp	2188.00		NIST
Inp	2188.00		NIST
Tboil	850.17	K	Joback Calculated Property
Tc	1040.95	K	Joback Calculated Property
Tfus	477.24	K	Joback Calculated Property
Vc	1.375	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1112.53; 1203.02]	J/mol×K	[850.17; 1040.95]
Cp,gas	1112.53	J/mol×K	850.17	Joback Calculated Property
Cp,gas	1130.07	J/mol×K	881.97	Joback Calculated Property
Cp,gas	1146.54	J/mol×K	913.76	Joback Calculated Property
Cp,gas	1162.00	J/mol×K	945.56	Joback Calculated Property
Cp,gas	1176.52	J/mol×K	977.35	Joback Calculated Property
Cp,gas	1190.16	J/mol×K	1009.15	Joback Calculated Property
Cp,gas	1203.02	J/mol×K	1040.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 4-pentadecyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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